3-(diethylamino)-6-[[(5-nitro-2-oxidanyl-phenyl)methylamino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 3-(diethylamino)-6-[[(5-nitro-2-oxidanyl-phenyl)methylamino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 3-(diethylamino)-6-[[(2-hydroxy-5-nitro-phenyl)methylamino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 3-(diethylamino)-6-[[(2-hydroxy-5-nitrophenyl)methylamino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 3-(diethylamino)-6-[[(2-hydroxy-5-nitrophenyl)methylamino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 3-(diethylamino)-6-[[(2-hydroxy-5-nitro-benzyl)amino]methylene]cyclohexa-2,4-dien-1-one Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=O)C(=CNCC2=C(C=CC(=C2)[N+](=O)[O-])O)C=C1

Isomeric SMILES

CCN(CC)C1=CC(=O)C(=CNCC2=C(C=CC(=C2)[N+](=O)[O-])O)C=C1

InChI

InChI=1S/C18H21N3O4/c1-3-20(4-2)15-6-5-13(18(23)10-15)11-19-12-14-9-16(21(24)25)7-8-17(14)22/h5-11,19,22H,3-4,12H2,1-2H3